3,4-ESTRONE QUINONE

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H20O3
Molecular Weight	284.3496
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,4-ESTRONE QUINONE

Structure Search

SMILES

C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(=O)C4=O)[C@@H]1CCC2=O

InChI

InChIKey=REMSDZFYMQQJFD-QDTBLXIISA-N

InChI=1S/C18H20O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14H,2-3,5,7-9H2,1H3/t11-,12-,14+,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C18H20O3
Molecular Weight	284.3496
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

PubMed

Title	Date	PubMed

Substance Class	Chemical Created by `admin` on `Wed Apr 02 12:47:11 GMT 2025` Edited by `admin` on `Wed Apr 02 12:47:11 GMT 2025`
Record UNII	3U2V78OM3M
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

J528.646H

Preferred Name

English

3,4-ESTRONE QUINONE

Common Name

English

ESTRA-1,5(10)-DIENE-3,4,17-TRIONE

Systematic Name

English

(8R,9S,13S,14S)-13-METHYL-7,8,9,11,12,14,15,16-OCTAHYDRO-6H-CYCLOPENTA(A)PHENANTHRENE-3,4,17-TRIONE

Systematic Name

English

3,4-ESTRONE O-QUINONE

Common Name

English

1,5(10)-ESTRADIENE-3,4,17-TRIONE

Systematic Name

English

Code System Code Type Description

CHEBI

87263

Created by admin on Wed Apr 02 12:47:11 GMT 2025 , Edited by admin on Wed Apr 02 12:47:11 GMT 2025

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FDA UNII

3U2V78OM3M

Created by admin on Wed Apr 02 12:47:11 GMT 2025 , Edited by admin on Wed Apr 02 12:47:11 GMT 2025

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CAS

40551-34-6

Created by admin on Wed Apr 02 12:47:11 GMT 2025 , Edited by admin on Wed Apr 02 12:47:11 GMT 2025

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PUBCHEM

114862

Created by admin on Wed Apr 02 12:47:11 GMT 2025 , Edited by admin on Wed Apr 02 12:47:11 GMT 2025

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EPA CompTox

DTXSID30960966

Created by admin on Wed Apr 02 12:47:11 GMT 2025 , Edited by admin on Wed Apr 02 12:47:11 GMT 2025

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